N-(1,4-dioxan-2-ylmethyl)-6-(1-methylimidazol-2-yl)pyridazin-3-amine

C13H17N5O2 — CID 56755879

IUPACN-(1,4-dioxan-2-ylmethyl)-6-(1-methylimidazol-2-yl)pyridazin-3-amine
SMILESCn1ccnc1-c1ccc(NCC2COCCO2)nn1
InChIInChI=1S/C13H17N5O2/c1-18-5-4-14-13(18)11-2-3-12(17-16-11)15-8-10-9-19-6-7-20-10/h2-5,10H,6-9H2,1H3,(H,15,17)
InChIKeyPVZFGVPSMIWMSZ-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.70
Rot. Bonds4

About N-(1,4-dioxan-2-ylmethyl)-6-(1-methylimidazol-2-yl)pyridazin-3-amine

N-(1,4-dioxan-2-ylmethyl)-6-(1-methylimidazol-2-yl)pyridazin-3-amine (PubChem CID 56755879) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-(1,4-dioxan-2-ylmethyl)-6-(1-methylimidazol-2-yl)pyridazin-3-amine.

Molecular Properties

Compound NameN-(1,4-dioxan-2-ylmethyl)-6-(1-methylimidazol-2-yl)pyridazin-3-amine
PubChem CID56755879
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC NameN-(1,4-dioxan-2-ylmethyl)-6-(1-methylimidazol-2-yl)pyridazin-3-amine
SMILESCn1ccnc1-c1ccc(NCC2COCCO2)nn1
InChIInChI=1S/C13H17N5O2/c1-18-5-4-14-13(18)11-2-3-12(17-16-11)15-8-10-9-19-6-7-20-10/h2-5,10H,6-9H2,1H3,(H,15,17)
InChIKeyPVZFGVPSMIWMSZ-UHFFFAOYSA-N
XLogP0.70
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxan-2-ylmethyl)-6-(1-methylimidazol-2-yl)pyridazin-3-amine?
The IUPAC name of N-(1,4-dioxan-2-ylmethyl)-6-(1-methylimidazol-2-yl)pyridazin-3-amine (CID 56755879) is N-(1,4-dioxan-2-ylmethyl)-6-(1-methylimidazol-2-yl)pyridazin-3-amine.
What is the SMILES notation for N-(1,4-dioxan-2-ylmethyl)-6-(1-methylimidazol-2-yl)pyridazin-3-amine?
The canonical SMILES for N-(1,4-dioxan-2-ylmethyl)-6-(1-methylimidazol-2-yl)pyridazin-3-amine is Cn1ccnc1-c1ccc(NCC2COCCO2)nn1.
What is the InChIKey of N-(1,4-dioxan-2-ylmethyl)-6-(1-methylimidazol-2-yl)pyridazin-3-amine?
The InChIKey is PVZFGVPSMIWMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-18-5-4-14-13(18)11-2-3-12(17-16-11)15-8-10-9-19-6-7-20-10/h2-5,10H,6-9H2,1H3,(H,15,17).
What are the key properties of N-(1,4-dioxan-2-ylmethyl)-6-(1-methylimidazol-2-yl)pyridazin-3-amine?
N-(1,4-dioxan-2-ylmethyl)-6-(1-methylimidazol-2-yl)pyridazin-3-amine has a molecular weight of 275.31 g/mol, XLogP of 0.70, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxan-2-ylmethyl)-6-(1-methylimidazol-2-yl)pyridazin-3-amine is sourced from PubChem (CID 56755879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).